CID 2825989

Oprea1_074174

Structural Information

Molecular Formula

C₂₀H₂₁NO₂

SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO2/c1-20(2,3)15-9-11-16(12-10-15)21-18(22)13-17(19(21)23)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3

InChIKey

KFKFNVZAQIXXDZ-UHFFFAOYSA-N

Compound name

1-(4-tert-butylphenyl)-3-phenylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 2
Patents: 307.15723 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	308.164506	173.6
[M+Na]+	330.146448	181.5
[M-H]-	306.149954	182.5
[M+NH4]+	325.191053	189.1
[M+K]+	346.120388	176.5
[M+H-H2O]+	290.154490	165.5
[M+HCOO]-	352.155431	193.2
[M+CH3COO]-	366.171081	205.8
[M+Na-2H]-	328.131896	174.3
[M]+	307.15668142	173.1
[M]-	307.15777858	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe